N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide

C13H15NO2 — CID 169465576

IUPACN-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C13H15NO2/c1-10(15)14-7-2-3-11-4-5-13-12(9-11)6-8-16-13/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyINJPGMQSWBMQCI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds3

About N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide

N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide (PubChem CID 169465576) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide
PubChem CID169465576
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C13H15NO2/c1-10(15)14-7-2-3-11-4-5-13-12(9-11)6-8-16-13/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyINJPGMQSWBMQCI-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
CID 169466156
N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79346860
N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
CID 169465574
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261
5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran
CID 170499269
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
methyl 2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-ethylamino]acetate
CID 76899075
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-methylphenyl)methyl]prop-2-enamide
CID 34166778
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713325
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500712

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide (CID 169465576) is N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide?
The InChIKey is INJPGMQSWBMQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(15)14-7-2-3-11-4-5-13-12(9-11)6-8-16-13/h2-5,9H,6-8H2,1H3,(H,14,15).
What are the key properties of N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide?
N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).